3-chloranyl-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 3-chloranyl-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 3-chloro-11-(2-diethylaminoethyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C21H23ClN2S MolecularWeight: 370.93872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(C2=C(C=C(C=C2)Cl)SCC3=CC=CC=C31)C#N

Isomeric SMILES

CCN(CC)CCC1(C2=C(C=C(C=C2)Cl)SCC3=CC=CC=C31)C#N

InChI

InChI=1S/C21H23ClN2S/c1-3-24(4-2)12-11-21(15-23)18-8-6-5-7-16(18)14-25-20-13-17(22)9-10-19(20)21/h5-10,13H,3-4,11-12,14H2,1-2H3